diethyl propanedioate; 1,6-diisocyanatohexane; 2-ethylhexane-1,3-diol; ethyl 3-oxidanylidenebutanoate; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane

Systemtic Name: diethyl propanedioate; 1,6-diisocyanatohexane; 2-ethylhexane-1,3-diol; ethyl 3-oxidanylidenebutanoate; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane Openeye Name: diethyl propanedioate; 1,6-diisocyanatohexane; 2-ethylhexane-1,3-diol; ethyl 3-oxobutanoate; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane CAS Name: 1,6-diisocyanatohexane; 2-ethylhexane-1,3-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; 3-oxobutanoic acid ethyl ester; propanedioic acid diethyl ester IUPAC Name: diethyl propanedioate; 1,6-diisocyanatohexane; 2-ethylhexane-1,3-diol; ethyl 3-oxobutanoate; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane Traditional Name: 1,6-diisocyanatohexane; 2-ethylhexane-1,3-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane; 3-ketobutyric acid ethyl ester; malonic acid diethyl ester Formula: C41H70N4O13 MolecularWeight: 827.0135

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)CO)O.CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)OCC.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C(CCCN=C=O)CCN=C=O

Isomeric SMILES

CCCC(C(CC)CO)O.CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)OCC.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C(CCCN=C=O)CCN=C=O

InChI

InChI=1S/C12H18N2O2.C8H12N2O2.C8H18O2.C7H12O4.C6H10O3/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15;11-7-9-5-3-1-2-4-6-10-8-12;1-3-5-8(10)7(4-2)6-9;1-3-10-6(8)5-7(9)11-4-2;1-3-9-6(8)4-5(2)7/h10H,4-7H2,1-3H3;1-6H2;7-10H,3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3